3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid ethyl ester | 145690-96-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid ethyl ester
• 英文别名: Ethyl 3-[3-(2-cyclohexylsulphonylamino)ethyl-5-(3-pyridylmethyl)phenyl]propanoate；ethyl 3-[3-[2-(cyclohexylsulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate
• CAS: 145690-96-6
• 化学式: C₂₅H₃₄N₂O₄S
• 分子量: 458.622
• InChiKey: FATHLZAPIGIFDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  93.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid ethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以45%的产率得到3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid
  参考文献：
  名称：

  Dickinson, Roger P.; Dack, Kevin N.; Long, Clive J., Journal of Medicinal Chemistry, 1997, vol. 40, # 21, p. 3442 - 3452

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氰基吡啶 在 palladium on activated charcoal 4-二甲氨基吡啶 、 palladium diacetate 、 氢氧化钾 、 sodium hydroxide 、 正丁基锂 、 叠氮磷酸二苯酯 、 甲酸铵 、 一水合肼 、 乙二醇 、 三乙胺 、 三(邻甲基苯基)磷 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 31.0h， 生成 3-[3-(2-Cyclohexanesulfonylamino-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid ethyl ester
  参考文献：
  名称：

  Dickinson, Roger P.; Dack, Kevin N.; Long, Clive J., Journal of Medicinal Chemistry, 1997, vol. 40, # 21, p. 3442 - 3452

  摘要：

  DOI：

文献信息

• Pyridine derived agents for cardiovascular diseases
  申请人：Pfizer Inc.

  公开号：US05457118A1

  公开（公告）日：1995-10-10

  ##STR1## Compounds of formula (I) or a biolabile ester thereof, or a pharmaceutically acceptable salt of either, wherein R.sup.l, R.sup.2, R.sup.3 and R.sup.4 are each independently selected from H or C.sub.1 -C.sub.4 alkyl; R.sup.5 is (CH.sub.2).sub.m SO.sub.2 R.sup.6, (CH.sub.2).sub.m NHSO.sub.2 R.sup.6 or (CH.sub.2).sub.m NHCOR.sup.7 ; R.sup.6 and R.sup.7 are C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.3 perfluoroalkyl(CH.sub.2).sub.n, C.sub.3 -C.sub.6 cycloalkyl(CH.sub.2).sub.n, aryl(CH.sub.2).sub.n or heteroaryl(CH.sub.2).sub.n ; or R.sup.6 is NR.sup.8 R.sup.9 ; R.sup.8 is H or C.sub.1 -C.sup.4 alkyl; R.sup.9 is C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 cycloalkyl(CH.sub.2).sub.n, aryl(CH.sub.2).sub.n or heteroaryl(CH.sub.2).sub.n ; or R.sup.8 and R.sup.9 together with the nitrogen atom to which they are attached form a 5- to 7-membered heterocyclic ring which may optionally incorporate a carbon-carbon double bond or a further hetero atom linkage selected from O, S, NH, N(C.sub.1 -C.sub.4 alkyl) and N(C.sub.1 -C.sub.5 alkanoyl), and which may optionally be substituted with one to three substituents each independently selected from C.sub.1 -C.sub.4 alkyl and C.sub.1 -C.sub.4 alkoxy, and which may optionally be benzo-fused; X is CH.sub.2, CHCH.sub.3, C(OH)CH.sub.3, C.dbd.CH.sub.2 or O; m is 0 or 1; n is 0, 1, 2 or 3; and Het is 3- or 4-pyridyl or 1-imidazolyl; with the proviso that when Het is 1-imidazolyl then X is CH.sub.2 or CHCH.sub.3, are combined thromboxane A.sub.2 synthetase inhibitors and thromboxane A.sub.2 /endoperoxide antagonists of utility in the treatment of disease conditions in which thromboxane A.sub.2 is a causative agent.

  化合物的公式（I）或其生物可降解酯，或任一种药学上可接受的盐，其中R.sup.l，R.sup.2，R.sup.3和R.sup.4各自独立地选择为H或C.sub.1-C.sub.4烷基；R.sup.5为（CH.sub.2）.sub.m SO.sub.2 R.sup.6，（CH.sub.2）.sub.m NHSO.sub.2 R.sup.6或（CH.sub.2）.sub.m NHCOR.sup.7；R.sup.6和R.sup.7为C.sub.1-C.sub.6烷基，C.sub.1-C.sub.3全氟烷基（CH.sub.2）.sub.n，C.sub.3-C.sub.6环烷基（CH.sub.2）.sub.n，芳基（CH.sub.2）.sub.n或杂芳基（CH.sub.2）.sub.n；或R.sup.6为NR.sup.8 R.sup.9；R.sup.8为H或C.sub.1-C.sup.4烷基；R.sup.9为C.sub.1-C.sub.6烷基，C.sub.3-C.sub.6环烷基（CH.sub.2）.sub.n，芳基（CH.sub.2）.sub.n或杂芳基（CH.sub.2）.sub.n；或R.sup.8和R.sup.9与它们连接的氮原子一起形成一个5-至7-成员的杂环，该杂环可以选择性地包含一个碳-碳双键或进一步的杂原子连接，所述杂原子选择自O，S，NH，N（C.sub.1-C.sub.4烷基）和N（C.sub.1-C.sub.5烷酰基），并且该杂环可以选择性地被1-3个取代基取代，每个取代基各自独立地选择自C.sub.1-C.sub.4烷基和C.sub.1-C.sub.4烷氧基，并且可以选择性地与苯并联；X为CH.sub.2，CHCH.sub.3，C（OH）CH.sub.3，C.dbd.CH.sub.2或O；m为0或1；n为0、1、2或3；Het为3-或4-吡啶基或1-咪唑基；但是，当Het为1-咪唑基时，X为CH.sub.2或CHCH.sub.3，它们结合起来是治疗与血栓素A.sub.2有关的疾病状况的血栓素A.sub.2合成酶抑制剂和血栓素A.sub.2 /内过氧化物拮抗剂。
• Pyridine- and imidazole-derived agents for cardiovascular diseases
  申请人：Pfizer Inc.

  公开号：US05705523A1

  公开（公告）日：1998-01-06

  Compounds of formula: ##STR1## or a biolabile ester thereof, or a pharmaceutically acceptable salt of either, wherein R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are each independently selected from H or C.sub.1 -C.sub.4 alkyl; R.sup.5 is (CH.sub.2).sub.m SO.sub.2 R.sup.6, (CH.sub.2).sub.m NHSO.sub.2 R.sup.6 or (CH.sub.2).sub.m NHCOR.sup.7 ; R.sup.6 and R.sup.7 are C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.3 perfluoroalkyl-(CH.sub.2).sub.n, C.sub.3 -C.sub.6 cycloalkyl(CH.sub.2).sub.n, aryl(CH.sub.2).sub.n or heteroaryl(CH.sub.2).sub.n ; or R.sup.6 is NR.sup.8 R.sup.9 ; R.sup.8 is H or C.sub.1 -C.sub.4 alkyl; R.sup.9 is C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 cycloalkyl(CH.sub.2).sub.n, aryl(CH.sub.2).sub.n or heteroaryl(CH.sub.2).sub.n ; or R.sup.8 and R.sup.9 together with the nitrogen atom to which they are attached from a 5- to 7-membered heterocyclic ring; X is CH.sub.2, CHCH.sub.3, C(OH)CH.sub.3, C.dbd.CH.sub.2 or O; m is 0 or 1; n is 0, 1, 2 or 3; and Het is 3- or 4-pyridyl or 1-imidazolyl; are combined thromboxane A.sub.2 synthetase inhibitors and thromboxane A.sub.2 /endoperoxide antagonists of utility in the treatment of disease conditions in which thromboxane A.sub.2 is a causative agent.

  化合物的公式为：##STR1## 或其生物可降解酯，或其药学上可接受的盐，其中R.sup.1，R.sup.2，R.sup.3和R.sup.4各自独立地选择H或C.sub.1-C.sub.4烷基；R.sup.5为(CH.sub.2).sub.m SO.sub.2R.sup.6，(CH.sub.2).sub.m NHSO.sub.2R.sup.6或(CH.sub.2).sub.m NHCOR.sup.7；R.sup.6和R.sup.7为C.sub.1-C.sub.6烷基，C.sub.1-C.sub.3全氟烷基-(CH.sub.2).sub.n，C.sub.3-C.sub.6环烷基(CH.sub.2).sub.n，芳基(CH.sub.2).sub.n或杂芳基(CH.sub.2).sub.n；或R.sup.6为NR.sup.8R.sup.9；R.sup.8为H或C.sub.1-C.sub.4烷基；R.sup.9为C.sub.1-C.sub.6烷基，C.sub.3-C.sub.6环烷基(CH.sub.2).sub.n，芳基(CH.sub.2).sub.n或杂芳基(CH.sub.2).sub.n；或R.sup.8和R.sup.9与它们所连接的氮原子形成5-至7-成员杂环；X为CH.sub.2，CHCH.sub.3，C(OH)CH.sub.3，C.dbd.CH.sub.2或O；m为0或1；n为0，1，2或3；和Het为3-或4-吡啶基或1-咪唑基。这些化合物是血栓素A.sub.2合成酶抑制剂和血栓素A.sub.2/内过氧化物拮抗剂，适用于治疗血栓素A.sub.2是致病因素的疾病条件。
• PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES
  申请人：Pfizer Limited

  公开号：EP0579618B1

  公开（公告）日：1999-10-13
• US5457118A
  申请人：——

  公开号：US5457118A

  公开（公告）日：1995-10-10
• US5705523A
  申请人：——

  公开号：US5705523A

  公开（公告）日：1998-01-06